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36176-31-5,MFCD00022053
Catalog No.:AA003HF4

36176-31-5 | 2-ISOPROPYLPHENYL ISOTHIOCYANATE

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100mg
96%
in stock  
$182.00   $128.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HF4
Chemical Name:
2-ISOPROPYLPHENYL ISOTHIOCYANATE
CAS Number:
36176-31-5
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD00022053
SMILES:
S=C=Nc1ccccc1C(C)C
Properties
Computed Properties
 
Complexity:
182  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
4.4  

Downstream Synthesis Route
2867-59-6    36176-31-5   
C14H22N2SO 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4030-4034

15518-10-2    36176-31-5   
C14H22N2SO 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4030-4034

[1]Kai,Hiroyuki;Morioka,Yasuhide;Murashi,Takami;Morita,Koichi;Shinonome,Satomi;Nakazato,Hitoshi;Kawamoto,Keiko;Hanasaki,Kohji;Takahashi,Fumiyo;Mihara,Shin-ichi;Arai,Tohko;Abe,Kohji;Okabe,Hiroshi;Baba,Takahiko;Yoshikawa,Takayoshi;Takenaka,Hideyuki[BioorganicandMedicinalChemistryLetters,2007,vol.17,#14,p.4030-4034]

[2]CurrentPatentAssignee:SHIONOGI&CO.,LTD.-EP1375489,2004,A1Locationinpatent:Page13

[3]Kai,Hiroyuki;Morioka,Yasuhide;Tomida,Minoru;Takahashi,Tadashi;Hattori,Maki;Hanasaki,Kohji;Koike,Katsumi;Chiba,Hiroki;Shinohara,Shunji;Kanemasa,Toshiyuki;Iwamoto,Yuka;Takahashi,Kohji;Yamaguchi,Yoshitaka;Baba,Takahiko;Yoshikawa,Takayoshi;Takenaka,Hideyuki[BioorganicandMedicinalChemistryLetters,2007,vol.17,#14,p.3925-3929]

[4]CurrentPatentAssignee:SHIONOGI&CO.,LTD.-EP1219612,2002,A1

45434-02-4    36176-31-5   
C15H22N2OS 

[1]Kai,Hiroyuki;Morioka,Yasuhide;Tomida,Minoru;Takahashi,Tadashi;Hattori,Maki;Hanasaki,Kohji;Koike,Katsumi;Chiba,Hiroki;Shinohara,Shunji;Kanemasa,Toshiyuki;Iwamoto,Yuka;Takahashi,Kohji;Yamaguchi,Yoshitaka;Baba,Takahiko;Yoshikawa,Takayoshi;Takenaka,Hideyuki[BioorganicandMedicinalChemistryLetters,2007,vol.17,#14,p.3925-3929]

2239-31-8    36176-31-5   
C17H26N2OS 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.3925-3929

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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